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Introduction to Ab-Initio Molecular Dynamics

Author: Jšurg Hutter
Url: http://www.pci.unizh.ch/e/documents/lecture_notes.pdf
Format: Pdf
Category: Molecular Dynamics
Pages: 120
Clicks: 1057

Introduction to Ab Initio Molecular Dynamics Contents: Molecular Dynamics;Ab initio Molecular Dynamics; Plane Waves; Pseudopotentials; Implementation; Extensions to the Original Method; Properties from CPMD; Chemical Reactions with CPMD; Linear Response; Excited States.

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